4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide

C27H35N5O — CID 70210020

IUPAC4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCN(Cc1cc(C2C=c3[nH]c(C)nc3=CC2)ccc1C)C(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C27H35N5O/c1-5-12-32(26(33)31-13-10-27(4,18-28)11-14-31)17-23-15-21(7-6-19(23)2)22-8-9-24-25(16-22)30-20(3)29-24/h6-7,9,15-16,22H,5,8,10-14,17H2,1-4H3,(H,29,30)
InChIKeyMZULGHONQILDOM-UHFFFAOYSA-N
MW445.61 g/mol
LogP3.73
Rot. Bonds5

About 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide

4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide (PubChem CID 70210020) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide
PubChem CID70210020
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCN(Cc1cc(C2C=c3[nH]c(C)nc3=CC2)ccc1C)C(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C27H35N5O/c1-5-12-32(26(33)31-13-10-27(4,18-28)11-14-31)17-23-15-21(7-6-19(23)2)22-8-9-24-25(16-22)30-20(3)29-24/h6-7,9,15-16,22H,5,8,10-14,17H2,1-4H3,(H,29,30)
InChIKeyMZULGHONQILDOM-UHFFFAOYSA-N
XLogP3.73
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide (CID 70210020) is 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide is CCCN(Cc1cc(C2C=c3[nH]c(C)nc3=CC2)ccc1C)C(=O)N1CCC(C)(C#N)CC1.
What is the InChIKey of 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide?
The InChIKey is MZULGHONQILDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-5-12-32(26(33)31-13-10-27(4,18-28)11-14-31)17-23-15-21(7-6-19(23)2)22-8-9-24-25(16-22)30-20(3)29-24/h6-7,9,15-16,22H,5,8,10-14,17H2,1-4H3,(H,29,30).
What are the key properties of 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide?
4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-methyl-N-[[2-methyl-5-(2-methyl-5,6-dihydro-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 70210020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).